4-chloro-8-methyl-9H-pyrido[2,3-b]indole

C12H9ClN2 — CID 135085314

IUPAC4-chloro-8-methyl-9H-pyrido[2,3-b]indole
SMILESCc1cccc2c1[nH]c1nccc(Cl)c12
InChIInChI=1S/C12H9ClN2/c1-7-3-2-4-8-10-9(13)5-6-14-12(10)15-11(7)8/h2-6H,1H3,(H,14,15)
InChIKeySRKGJVFGKNISMR-UHFFFAOYSA-N
MW216.67 g/mol
LogP3.68
Rot. Bonds

About 4-chloro-8-methyl-9H-pyrido[2,3-b]indole

4-chloro-8-methyl-9H-pyrido[2,3-b]indole (PubChem CID 135085314) has the molecular formula C12H9ClN2 and a molecular weight of 216.67 g/mol. Its IUPAC name is 4-chloro-8-methyl-9H-pyrido[2,3-b]indole.

Molecular Properties

Compound Name4-chloro-8-methyl-9H-pyrido[2,3-b]indole
PubChem CID135085314
Molecular FormulaC12H9ClN2
Molecular Weight216.67 g/mol
Exact Mass216.05
IUPAC Name4-chloro-8-methyl-9H-pyrido[2,3-b]indole
SMILESCc1cccc2c1[nH]c1nccc(Cl)c12
InChIInChI=1S/C12H9ClN2/c1-7-3-2-4-8-10-9(13)5-6-14-12(10)15-11(7)8/h2-6H,1H3,(H,14,15)
InChIKeySRKGJVFGKNISMR-UHFFFAOYSA-N
XLogP3.68
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.67
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-8-methyl-9H-pyrido[2,3-b]indole?
The IUPAC name of 4-chloro-8-methyl-9H-pyrido[2,3-b]indole (CID 135085314) is 4-chloro-8-methyl-9H-pyrido[2,3-b]indole.
What is the SMILES notation for 4-chloro-8-methyl-9H-pyrido[2,3-b]indole?
The canonical SMILES for 4-chloro-8-methyl-9H-pyrido[2,3-b]indole is Cc1cccc2c1[nH]c1nccc(Cl)c12.
What is the InChIKey of 4-chloro-8-methyl-9H-pyrido[2,3-b]indole?
The InChIKey is SRKGJVFGKNISMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2/c1-7-3-2-4-8-10-9(13)5-6-14-12(10)15-11(7)8/h2-6H,1H3,(H,14,15).
What are the key properties of 4-chloro-8-methyl-9H-pyrido[2,3-b]indole?
4-chloro-8-methyl-9H-pyrido[2,3-b]indole has a molecular weight of 216.67 g/mol, XLogP of 3.68, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-8-methyl-9H-pyrido[2,3-b]indole is sourced from PubChem (CID 135085314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).